ethanol;formazan

C6H20N8O2 — CID 162258570

IUPACethanol;formazan
SMILESCCO.CCO.[H]/N=N/C=NN.[H]/N=N/C=NN
InChIInChI=1S/2C2H6O.2CH4N4/c2*1-2-3;2*2-4-1-5-3/h2*3H,2H2,1H3;2*1-2H,3H2/b;;2*4-2+,5-1?
InChIKeyZYXREEWENZUHIL-WXBPMOIISA-N
MW236.28 g/mol
LogP-0.16
Rot. Bonds2

About ethanol;formazan

ethanol;formazan (PubChem CID 162258570) has the molecular formula C6H20N8O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is ethanol;formazan.

Molecular Properties

Compound Nameethanol;formazan
PubChem CID162258570
Molecular FormulaC6H20N8O2
Molecular Weight236.28 g/mol
Exact Mass236.17
IUPAC Nameethanol;formazan
SMILESCCO.CCO.[H]/N=N/C=NN.[H]/N=N/C=NN
InChIInChI=1S/2C2H6O.2CH4N4/c2*1-2-3;2*2-4-1-5-3/h2*3H,2H2,1H3;2*1-2H,3H2/b;;2*4-2+,5-1?
InChIKeyZYXREEWENZUHIL-WXBPMOIISA-N
XLogP-0.16
TPSA189.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethanol;formazan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanol;formazan?
The IUPAC name of ethanol;formazan (CID 162258570) is ethanol;formazan.
What is the SMILES notation for ethanol;formazan?
The canonical SMILES for ethanol;formazan is CCO.CCO.[H]/N=N/C=NN.[H]/N=N/C=NN.
What is the InChIKey of ethanol;formazan?
The InChIKey is ZYXREEWENZUHIL-WXBPMOIISA-N. The full InChI is InChI=1S/2C2H6O.2CH4N4/c2*1-2-3;2*2-4-1-5-3/h2*3H,2H2,1H3;2*1-2H,3H2/b;;2*4-2+,5-1?.
What are the key properties of ethanol;formazan?
ethanol;formazan has a molecular weight of 236.28 g/mol, XLogP of -0.16, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;formazan is sourced from PubChem (CID 162258570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).